IBS-ZINC01775727 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 0.1430 1.7750 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 0.8570 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -0.0250 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -0.8860 1.8940 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -0.0020 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 0.8260 0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 -0.1680 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.2180 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 0.4850 2.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -1.2580 3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -1.0640 4.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -2.3730 5.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -2.5330 6.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -3.3640 4.7490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -2.7510 3.4150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9500 -3.0160 2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -3.2050 2.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -3.6100 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -4.0260 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -4.0380 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -3.6330 2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -3.2220 3.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7270 -4.5610 0.2180 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -4.7990 5.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -5.3550 5.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -6.8540 5.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 -7.3860 5.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -7.8990 4.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 -8.2710 4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 -7.9940 6.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -7.4690 6.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 0.1400 5.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 2.7160 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 1.9680 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 1.3060 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 -0.9270 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 0.7800 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 -0.4750 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -3.6000 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -4.3420 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 -3.6420 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -2.9100 4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -5.3100 4.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -4.9590 6.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -4.8440 5.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -5.1940 4.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -7.3650 4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -7.0140 6.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -7.9870 3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -8.7150 4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -7.1510 7.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.0870 6.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 M END